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8HXU
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BU of 8hxu by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-pentylthiazole-4-carboxylic acid
分子名称: 2-azanyl-5-pentyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-05
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HY2
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BU of 8hy2 by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
分子名称: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-05
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXE
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BU of 8hxe by Molmil
Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-propylbenzyl)thiazole-4-carboxylic acid
分子名称: 2-azanyl-5-[(4-propylphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Metallo-beta-lactamase L1 type 3, THIOCYANATE ION, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-04
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.382 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXN
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BU of 8hxn by Molmil
Crystal structure of B2 Sfh-I MBL in complex with 2-amino-5-(4-(but-3-en-1-yloxy)benzyl)thiazole-4-carboxylic acid
分子名称: 2-azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ETHANOL, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-05
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXW
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BU of 8hxw by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-heptylthiazole-4-carboxylic acid
分子名称: 2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-05
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXI
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BU of 8hxi by Molmil
Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-isopropylbenzyl)thiazole-4-carboxylic acid
分子名称: 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase L1 type 3, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-04
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HY6
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Crystal structure of B1 NDM-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
分子名称: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-05
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HY1
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Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(thiophen-2-ylmethyl)thiazole-4-carboxylic acid
分子名称: 2-azanyl-5-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-05
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.937 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HX5
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Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(4-methoxybenzyl)thiazole-4-carboxylic acid
分子名称: 2-azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-04
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HXV
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BU of 8hxv by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-hexylthiazole-4-carboxylic acid
分子名称: 2-azanyl-5-hexyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-05
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
8HYD
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BU of 8hyd by Molmil
Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(2-(thiophen-2-yl)ethyl)thiazole-4-carboxylic acid
分子名称: 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Zhu, K.-R, Li, G.-B.
登録日2023-01-06
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
7DYY
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BU of 7dyy by Molmil
Crystal structure of VIM-2 MBL in complex with 1-((2-aminobenzo[d]thiazol-6-yl)methyl)-1H-imidazole-2-carboxylic acid
分子名称: 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, DI(HYDROXYETHYL)ETHER, ...
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DYZ
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BU of 7dyz by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-4-methyl-1H-imidazole-2-carboxylic acid
分子名称: 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DZ1
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BU of 7dz1 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-benzyl-5-methyl-1H-imidazole-2-carboxylic acid
分子名称: 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.708 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DZ0
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BU of 7dz0 by Molmil
Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-5-methyl-1H-imidazole-2-carboxylic acid
分子名称: 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-23
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.227 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7DU1
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Crystal structure of VIM-2 MBL in complex with 1-propyl-1H-imidazole-2-carboxylic acid
分子名称: 1-propylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Li, G.-B.
登録日2021-01-07
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors.
Eur.J.Med.Chem., 228, 2022
7CJL
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BU of 7cjl by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide
分子名称: (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Chen, J, Zhan, Z, Yu, Z.-J, Li, G, Li, G.-B, Guo, L, Wu, Y.
登録日2020-07-11
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献Discovery of mercaptopropanamide-substituted aryl tetrazoles as new broad-spectrum metallo-beta-lactamase inhibitors.
Rsc Adv, 10, 2020
7CHV
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BU of 7chv by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with 1-benzyl-1H-imidazole-2-carboxylic acid
分子名称: 1-(phenylmethyl)imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ...
著者Yan, Y.-H, Li, G.-B.
登録日2020-07-06
公開日2021-07-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献AncPhore: A versatile tool for anchor pharmacophore steered drug discovery with applications in discovery of new inhibitors targeting metallo-beta-lactamases and indoleamine/tryptophan 2,3-dioxygenases.
Acta Pharm Sin B, 11, 2021
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